11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one

C23H18N2O3 — CID 139236058

IUPAC11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one
SMILESCOc1cccc(C2c3ccc4ccccc4c3Oc3nc(C)[nH]c(=O)c32)c1
InChIInChI=1S/C23H18N2O3/c1-13-24-22(26)20-19(15-7-5-8-16(12-15)27-2)18-11-10-14-6-3-4-9-17(14)21(18)28-23(20)25-13/h3-12,19H,1-2H3,(H,24,25,26)
InChIKeyIXSOEGYNAJJGAD-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.53
Rot. Bonds2

About 11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one

11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one (PubChem CID 139236058) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one.

Molecular Properties

Compound Name11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one
PubChem CID139236058
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one
SMILESCOc1cccc(C2c3ccc4ccccc4c3Oc3nc(C)[nH]c(=O)c32)c1
InChIInChI=1S/C23H18N2O3/c1-13-24-22(26)20-19(15-7-5-8-16(12-15)27-2)18-11-10-14-6-3-4-9-17(14)21(18)28-23(20)25-13/h3-12,19H,1-2H3,(H,24,25,26)
InChIKeyIXSOEGYNAJJGAD-UHFFFAOYSA-N
XLogP4.53
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one?
The IUPAC name of 11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one (CID 139236058) is 11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one.
What is the SMILES notation for 11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one?
The canonical SMILES for 11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one is COc1cccc(C2c3ccc4ccccc4c3Oc3nc(C)[nH]c(=O)c32)c1.
What is the InChIKey of 11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one?
The InChIKey is IXSOEGYNAJJGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-13-24-22(26)20-19(15-7-5-8-16(12-15)27-2)18-11-10-14-6-3-4-9-17(14)21(18)28-23(20)25-13/h3-12,19H,1-2H3,(H,24,25,26).
What are the key properties of 11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one?
11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one has a molecular weight of 370.41 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-methoxyphenyl)-15-methyl-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-13-one is sourced from PubChem (CID 139236058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).